[3-methoxycarbonyl-5-(2-thiophen-2-ylethanoylamino)phenyl]boronic acid

Systemtic Name: [3-methoxycarbonyl-5-(2-thiophen-2-ylethanoylamino)phenyl]boronic acid Openeye Name: [3-methoxycarbonyl-5-[[2-(2-thienyl)acetyl]amino]phenyl]boronic acid CAS Name: [3-methoxycarbonyl-5-[(1-oxo-2-thiophen-2-ylethyl)amino]phenyl]boronic acid IUPAC Name: [3-methoxycarbonyl-5-[(2-thiophen-2-ylacetyl)amino]phenyl]boronic acid Traditional Name: [3-carbomethoxy-5-[[2-(2-thienyl)acetyl]amino]phenyl]boronic acid Formula: C14H14BNO5S MolecularWeight: 319.14066

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=CC(=C1)NC(=O)CC2=CC=CS2)C(=O)OC)(O)O

Isomeric SMILES

B(C1=CC(=CC(=C1)NC(=O)CC2=CC=CS2)C(=O)OC)(O)O

InChI

InChI=1S/C14H14BNO5S/c1-21-14(18)9-5-10(15(19)20)7-11(6-9)16-13(17)8-12-3-2-4-22-12/h2-7,19-20H,8H2,1H3,(H,16,17)